By employing density functional theory (DFT), the sensitivity of the Si-doped and the pristine Boron carbide (BC₃) nanosheets to acetaminophen (ACE) was scrutinized. The ACE drug does not affect the electronic properties evaluated for the pristine BC₃ sheet. Alternatively, its sensitivity and reactivity are increased to the ACE drug considerably after doping it by Si. The adsorption of the ACE drug reduces the highest occupied molecular orbital- lowest unoccupied molecular orbital (HOMO-LUMO) gap associated with the Si-doped BC₃ sheet from 1.39 to 0.62 eV, which improves the electrical conductivity, unlike the pristine BC₃. Furthermore, the adsorption of the ACE drug will mainly influence the work function of the Si-doped BC₃ sheet, which in turn modifies the electron emission current from its sheet. This confirms that the Si-doped BC₃ sheet can be utilized as a work-function-type sensitive material to detect the ACE drug. For the adsorption of the ACE drug, the recovery time of the Si-doped BC₃ sheet is 12.62 ms, which can be considered as another advantage of the Si-doped BC₃ sheet.

通过采用密度泛函理论 (DFT)，仔细研究了 Si 掺杂和原始碳化硼 (BC ₃ ) 纳米片对对乙酰氨基酚 (ACE)的敏感性。ACE 药物不影响对原始 BC ₃片材评估的电子特性。或者，通过 Si 掺杂后，其对 ACE 药物的敏感性和反应性显着增加。ACE 药物的吸附将与掺杂 Si 的 BC ₃片相关的最高占据分子轨道-最低未占据分子轨道 (HOMO-LUMO) 间隙从 1.39 eV 降低到 0.62 eV，与原始 BC ₃不同，这提高了电导率。此外，ACE药物的吸附将主要影响Si掺杂BC的功函数₃片，这反过来修改了其片的电子发射电流。这证实了 Si 掺杂的 BC ₃片可以用作功函数型敏感材料来检测 ACE 药物。对于ACE药物的吸附，Si掺杂BC ₃片的恢复时间为12.62  ms，这可以被认为是Si掺杂BC ₃片的另一个优点。